1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propan-1-one Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenyl-1-propanone IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazino]-3-phenyl-propan-1-one Formula: C35H34N4O4 MolecularWeight: 574.66886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CN(C5=C4C=C(C=C5)[N+](=O)[O-])CC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CN(C5=C4C=C(C=C5)[N+](=O)[O-])CC6=CC=CC=C6

InChI

InChI=1S/C35H34N4O4/c1-43-30-15-12-28(13-16-30)36-18-20-37(21-19-36)35(40)23-31(27-10-6-3-7-11-27)33-25-38(24-26-8-4-2-5-9-26)34-17-14-29(39(41)42)22-32(33)34/h2-17,22,25,31H,18-21,23-24H2,1H3